N-(1H-1,2,4-triazol-5-yl)cyclopropanecarboxamide

C6H8N4O — CID 53015133

IUPACN-(1H-1,2,4-triazol-5-yl)cyclopropanecarboxamide
SMILESO=C(Nc1ncn[nH]1)C1CC1
InChIInChI=1S/C6H8N4O/c11-5(4-1-2-4)9-6-7-3-8-10-6/h3-4H,1-2H2,(H2,7,8,9,10,11)
InChIKeyCPQUTYYJWSCQCZ-UHFFFAOYSA-N
MW152.16 g/mol
LogP0.15
Rot. Bonds2

About N-(1H-1,2,4-triazol-5-yl)cyclopropanecarboxamide

N-(1H-1,2,4-triazol-5-yl)cyclopropanecarboxamide (PubChem CID 53015133) has the molecular formula C6H8N4O and a molecular weight of 152.16 g/mol. Its IUPAC name is N-(1H-1,2,4-triazol-5-yl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(1H-1,2,4-triazol-5-yl)cyclopropanecarboxamide
PubChem CID53015133
Molecular FormulaC6H8N4O
Molecular Weight152.16 g/mol
Exact Mass152.07
IUPAC NameN-(1H-1,2,4-triazol-5-yl)cyclopropanecarboxamide
SMILESO=C(Nc1ncn[nH]1)C1CC1
InChIInChI=1S/C6H8N4O/c11-5(4-1-2-4)9-6-7-3-8-10-6/h3-4H,1-2H2,(H2,7,8,9,10,11)
InChIKeyCPQUTYYJWSCQCZ-UHFFFAOYSA-N
XLogP0.15
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.16
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-1H-1,2,4-Triazol-5-ylacetamide
CID 266439
2,2-Dichloro-1-methyl-N-(1H-1,2,4-triazol-3-yl)cyclopropanecarboxamide
CID 560224
N-(4H-1,2,4-Triazol-3-YL)pentanamide
CID 19171439
N-(4H-1,2,4-triazol-3-yl)cyclobutanecarboxamide
CID 53015132
3,3-difluoro-2,2-dimethyl-N-(1H-1,2,4-triazol-5-yl)propanamide
CID 132970373
N-(1h-1,2,4-triazol-5-yl)cyano-acetamide
CID 82667977
3,3,3-trifluoro-N-(1H-1,2,4-triazol-5-yl)-2-(trifluoromethyl)propanamide
CID 30448738
3,3,3-trifluoro-N-(1H-1,2,4-triazol-5-yl)propanamide
CID 60967748
4,4,4-trifluoro-N-(1H-1,2,4-triazol-5-yl)butanamide
CID 65711779
1-fluoro-N-(1H-1,2,4-triazol-5-yl)cyclobutane-1-carboxamide
CID 130616396
3,3-difluoro-2-methyl-N-(1H-1,2,4-triazol-5-yl)butanamide
CID 131153934
N-(1H-1,2,4-triazol-5-yl)-3-oxobutanamide
CID 4612924

Frequently Asked Questions

What is the IUPAC name of N-(1H-1,2,4-triazol-5-yl)cyclopropanecarboxamide?
The IUPAC name of N-(1H-1,2,4-triazol-5-yl)cyclopropanecarboxamide (CID 53015133) is N-(1H-1,2,4-triazol-5-yl)cyclopropanecarboxamide.
What is the SMILES notation for N-(1H-1,2,4-triazol-5-yl)cyclopropanecarboxamide?
The canonical SMILES for N-(1H-1,2,4-triazol-5-yl)cyclopropanecarboxamide is O=C(Nc1ncn[nH]1)C1CC1.
What is the InChIKey of N-(1H-1,2,4-triazol-5-yl)cyclopropanecarboxamide?
The InChIKey is CPQUTYYJWSCQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O/c11-5(4-1-2-4)9-6-7-3-8-10-6/h3-4H,1-2H2,(H2,7,8,9,10,11).
What are the key properties of N-(1H-1,2,4-triazol-5-yl)cyclopropanecarboxamide?
N-(1H-1,2,4-triazol-5-yl)cyclopropanecarboxamide has a molecular weight of 152.16 g/mol, XLogP of 0.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-1,2,4-triazol-5-yl)cyclopropanecarboxamide is sourced from PubChem (CID 53015133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).